[5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate

C25H28N2O6 — CID 70412160

IUPAC[5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate
SMILESCCNC(=O)OC1=C(C)NC(C)=C(OC(=O)OC)C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H28N2O6/c1-5-26-24(28)32-22-16(2)27-17(3)23(33-25(29)30-4)21(22)19-11-13-20(14-12-19)31-15-18-9-7-6-8-10-18/h6-14,21,27H,5,15H2,1-4H3,(H,26,28)
InChIKeyFRJSJTKZVOLTDG-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.94
Rot. Bonds7

About [5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate

[5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate (PubChem CID 70412160) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is [5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate.

Molecular Properties

Compound Name[5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate
PubChem CID70412160
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC Name[5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate
SMILESCCNC(=O)OC1=C(C)NC(C)=C(OC(=O)OC)C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H28N2O6/c1-5-26-24(28)32-22-16(2)27-17(3)23(33-25(29)30-4)21(22)19-11-13-20(14-12-19)31-15-18-9-7-6-8-10-18/h6-14,21,27H,5,15H2,1-4H3,(H,26,28)
InChIKeyFRJSJTKZVOLTDG-UHFFFAOYSA-N
XLogP4.94
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate with MolForge

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Related Compounds

2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 151797160
[5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyloxy]-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70411762
[2,6-dimethyl-4-(2-phenylmethoxyphenyl)-5-(pyridin-2-ylcarbamoyloxy)-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70411433
methyl (5S)-7-methyl-2,4-dioxo-5-(4-phenylmethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 1189318
methyl 2-(4-phenylmethoxyphenoxy)propanoate
CID 13093988
dimethyl 4-[4-[(4-bromophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 3557733
2-methoxyethyl (4S)-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7073409
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 14985162
benzyl ethylcarbamoyl carbonate
CID 174255630
ethyl 3-(4-phenylmethoxyphenyl)oxirane-2-carboxylate
CID 11277925
methyl 6-butyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844427
N-ethyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetamide
CID 9224487

Frequently Asked Questions

What is the IUPAC name of [5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate?
The IUPAC name of [5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate (CID 70412160) is [5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate.
What is the SMILES notation for [5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate?
The canonical SMILES for [5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate is CCNC(=O)OC1=C(C)NC(C)=C(OC(=O)OC)C1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate?
The InChIKey is FRJSJTKZVOLTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-5-26-24(28)32-22-16(2)27-17(3)23(33-25(29)30-4)21(22)19-11-13-20(14-12-19)31-15-18-9-7-6-8-10-18/h6-14,21,27H,5,15H2,1-4H3,(H,26,28).
What are the key properties of [5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate?
[5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate has a molecular weight of 452.51 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylcarbamoyloxy)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate is sourced from PubChem (CID 70412160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).